3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine

C18H29N — CID 107450141

IUPAC3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine
SMILESCc1cc(C)c(C2(N)CCCC(C(C)C)C2)cc1C
InChIInChI=1S/C18H29N/c1-12(2)16-7-6-8-18(19,11-16)17-10-14(4)13(3)9-15(17)5/h9-10,12,16H,6-8,11,19H2,1-5H3
InChIKeyPOPAZYFPNCFMMR-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.61
Rot. Bonds2

About 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine

3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine (PubChem CID 107450141) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine
PubChem CID107450141
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine
SMILESCc1cc(C)c(C2(N)CCCC(C(C)C)C2)cc1C
InChIInChI=1S/C18H29N/c1-12(2)16-7-6-8-18(19,11-16)17-10-14(4)13(3)9-15(17)5/h9-10,12,16H,6-8,11,19H2,1-5H3
InChIKeyPOPAZYFPNCFMMR-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
The IUPAC name of 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine (CID 107450141) is 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine is Cc1cc(C)c(C2(N)CCCC(C(C)C)C2)cc1C.
What is the InChIKey of 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
The InChIKey is POPAZYFPNCFMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12(2)16-7-6-8-18(19,11-16)17-10-14(4)13(3)9-15(17)5/h9-10,12,16H,6-8,11,19H2,1-5H3.
What are the key properties of 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 107450141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).